[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride

C20H31ClN2O — CID 119275901

IUPAC[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCc1ccc(CCC2CCN(C(=O)C3CCNCC3)CC2)cc1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-16-2-4-17(5-3-16)6-7-18-10-14-22(15-11-18)20(23)19-8-12-21-13-9-19;/h2-5,18-19,21H,6-15H2,1H3;1H
InChIKeyNLCGKOOSOYHOTO-UHFFFAOYSA-N
MW350.93 g/mol
LogP3.59
Rot. Bonds4

About [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride

[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride (PubChem CID 119275901) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
PubChem CID119275901
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCc1ccc(CCC2CCN(C(=O)C3CCNCC3)CC2)cc1.Cl
InChIInChI=1S/C20H30N2O.ClH/c1-16-2-4-17(5-3-16)6-7-18-10-14-22(15-11-18)20(23)19-8-12-21-13-9-19;/h2-5,18-19,21H,6-15H2,1H3;1H
InChIKeyNLCGKOOSOYHOTO-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619320
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119275906
[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928091
[(1S,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928092
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119698256
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 42937923
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 124696685
2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 119698261
[4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119345602
2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione
CID 46679856
2-bromo-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 107903147

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride (CID 119275901) is [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride is Cc1ccc(CCC2CCN(C(=O)C3CCNCC3)CC2)cc1.Cl.
What is the InChIKey of [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is NLCGKOOSOYHOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.ClH/c1-16-2-4-17(5-3-16)6-7-18-10-14-22(15-11-18)20(23)19-8-12-21-13-9-19;/h2-5,18-19,21H,6-15H2,1H3;1H.
What are the key properties of [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 119275901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).